1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-morpholin-4-ylsulfonylphenoxy)ethanone

C20H21NO7S — CID 9331375

IUPAC1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-morpholin-4-ylsulfonylphenoxy)ethanone
SMILESO=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C20H21NO7S/c22-18(15-1-6-19-20(13-15)27-12-11-26-19)14-28-16-2-4-17(5-3-16)29(23,24)21-7-9-25-10-8-21/h1-6,13H,7-12,14H2
InChIKeyYODCLOFVAWPNFJ-UHFFFAOYSA-N
MW419.46 g/mol
LogP1.74
Rot. Bonds6

About 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-morpholin-4-ylsulfonylphenoxy)ethanone

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-morpholin-4-ylsulfonylphenoxy)ethanone (PubChem CID 9331375) has the molecular formula C20H21NO7S and a molecular weight of 419.46 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-morpholin-4-ylsulfonylphenoxy)ethanone.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-morpholin-4-ylsulfonylphenoxy)ethanone
PubChem CID9331375
Molecular FormulaC20H21NO7S
Molecular Weight419.46 g/mol
Exact Mass419.10
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-morpholin-4-ylsulfonylphenoxy)ethanone
SMILESO=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C20H21NO7S/c22-18(15-1-6-19-20(13-15)27-12-11-26-19)14-28-16-2-4-17(5-3-16)29(23,24)21-7-9-25-10-8-21/h1-6,13H,7-12,14H2
InChIKeyYODCLOFVAWPNFJ-UHFFFAOYSA-N
XLogP1.74
TPSA91.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(3,4-dimethoxyphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)ethanone
CID 9331575
[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 16530744
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-iodophenoxy)ethanone
CID 7473176
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 9406618
2-(1,3-benzodioxol-5-yloxy)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 17310285
N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 30125752
1-(2,5-dimethylthiophen-3-yl)-2-(4-morpholin-4-ylsulfonylphenoxy)ethanone
CID 9332969
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-piperidin-1-ylsulfonylphenoxy)acetamide
CID 1248006
1-(2,5-diethylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)ethanone
CID 9332581
4-[4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethoxy]phenyl]benzonitrile
CID 7670398
N-(2-hydroxyethyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 6491401
3-(4-morpholin-4-ylsulfonylphenoxy)propanoic acid
CID 43314386

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-morpholin-4-ylsulfonylphenoxy)ethanone?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-morpholin-4-ylsulfonylphenoxy)ethanone (CID 9331375) is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-morpholin-4-ylsulfonylphenoxy)ethanone.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-morpholin-4-ylsulfonylphenoxy)ethanone?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-morpholin-4-ylsulfonylphenoxy)ethanone is O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc2c(c1)OCCO2.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-morpholin-4-ylsulfonylphenoxy)ethanone?
The InChIKey is YODCLOFVAWPNFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO7S/c22-18(15-1-6-19-20(13-15)27-12-11-26-19)14-28-16-2-4-17(5-3-16)29(23,24)21-7-9-25-10-8-21/h1-6,13H,7-12,14H2.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-morpholin-4-ylsulfonylphenoxy)ethanone?
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-morpholin-4-ylsulfonylphenoxy)ethanone has a molecular weight of 419.46 g/mol, XLogP of 1.74, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-morpholin-4-ylsulfonylphenoxy)ethanone is sourced from PubChem (CID 9331375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).